N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide

C19H23N3O5 — CID 8800431

IUPACN'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N3O5/c23-17(11-27-16-4-2-1-3-15(16)22(25)26)20-21-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,23)(H,21,24)
InChIKeyMEMFUTJTDDVBRU-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.34
Rot. Bonds5

About N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide

N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide (PubChem CID 8800431) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
PubChem CID8800431
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N3O5/c23-17(11-27-16-4-2-1-3-15(16)22(25)26)20-21-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,23)(H,21,24)
InChIKeyMEMFUTJTDDVBRU-UHFFFAOYSA-N
XLogP2.34
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(1-adamantyl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7788782
N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 24538359
[1-(1-adamantyl)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 55318628
N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 42931140
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
(E)-1-(1-adamantyl)-3-[5-[(2-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19571191

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide (CID 8800431) is N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide is O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide?
The InChIKey is MEMFUTJTDDVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c23-17(11-27-16-4-2-1-3-15(16)22(25)26)20-21-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide?
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide has a molecular weight of 373.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 8800431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).